N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine

C20H16ClFN8 — CID 121245211

IUPACN-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine
SMILESCC[C@@H](Nc1ncnc2nc[nH]c12)c1cc2ncc(Cl)n2nc1-c1ccccc1F
InChIInChI=1S/C20H16ClFN8/c1-2-14(28-20-18-19(25-9-24-18)26-10-27-20)12-7-16-23-8-15(21)30(16)29-17(12)11-5-3-4-6-13(11)22/h3-10,14H,2H2,1H3,(H2,24,25,26,27,28)/t14-/m1/s1
InChIKeyUHSDZFMWCROEFN-CQSZACIVSA-N
MW422.86 g/mol
LogP4.42
Rot. Bonds5

About N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine

N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine (PubChem CID 121245211) has the molecular formula C20H16ClFN8 and a molecular weight of 422.86 g/mol. Its IUPAC name is N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine
PubChem CID121245211
Molecular FormulaC20H16ClFN8
Molecular Weight422.86 g/mol
Exact Mass422.12
IUPAC NameN-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine
SMILESCC[C@@H](Nc1ncnc2nc[nH]c12)c1cc2ncc(Cl)n2nc1-c1ccccc1F
InChIInChI=1S/C20H16ClFN8/c1-2-14(28-20-18-19(25-9-24-18)26-10-27-20)12-7-16-23-8-15(21)30(16)29-17(12)11-5-3-4-6-13(11)22/h3-10,14H,2H2,1H3,(H2,24,25,26,27,28)/t14-/m1/s1
InChIKeyUHSDZFMWCROEFN-CQSZACIVSA-N
XLogP4.42
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.86
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine?
The IUPAC name of N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine (CID 121245211) is N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine is CC[C@@H](Nc1ncnc2nc[nH]c12)c1cc2ncc(Cl)n2nc1-c1ccccc1F.
What is the InChIKey of N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine?
The InChIKey is UHSDZFMWCROEFN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H16ClFN8/c1-2-14(28-20-18-19(25-9-24-18)26-10-27-20)12-7-16-23-8-15(21)30(16)29-17(12)11-5-3-4-6-13(11)22/h3-10,14H,2H2,1H3,(H2,24,25,26,27,28)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine?
N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine has a molecular weight of 422.86 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine is sourced from PubChem (CID 121245211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).